Grundinformationen
- CAS
52-01-7- Standard-SMILES
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12- InChIKey
LXMSZDCAJNLERA-ZHYRCANASA-N- Summenformel
- C24H32O4S
- Durchschnittliche Molmasse
- 416,6 g/mol
- Monoisotopische Masse
- 416,20213067
Namen und Bezeichner
- Bevorzugter Name
- Spironolactone
- IUPAC
- S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
- Lokaler Name
- Spironolacton
- Englischer Name
- Spironolactone
- Summenformel
- C24H32O4S
- Molmasse
- 416.58
Namen und Synonyme
spironolactone52-01-7AldactoneVerospironeSpirolactoneSpiresisUractoneXenalonspironolattoneEspironolactonaSpironolactonumAbbolactone
Weitere Namen anzeigen
OsyrolDiraSpironolac17-hydroxy-7alpha-mercapto-3-oxo-17alpha-pregn-4-ene-21-carboxylicacigamm7ALPHA-[ACETYLTHIO]-17ALPHA-HYDROXY-3-OXOPREGN-4-ENE-21-CARBOXYLIC ACID GAMMA-LACTONE17-hydroxy-7-alpha-mercapto-3-oxo-17-alpha-pregn-4-ene-21-carboxylic acid-gamma-lactone-7-acetate17-HYDROXY-7-ALPHA-MERCAPTO-3-OXO-17-ALPHA-PREGU-4-ENE-2[CARBOXYLIC ACID-GAMMA-LACTONE-7-ACETATE]
DiatensecLaractoneSC 9420SC-9420Spironolactone cevaCarospirDTXSID6034186Spiretic
Datenbank-Bezeichner
- CAS
52-01-7- PubChem CID
- 5833
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 85,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 818
Physikochemische Eigenschaften
- Schmelzpunkt
- 207 · 207-208 °C (lit.)
- Siedepunkt
- 504.87 °C · 504.87°C (rough estimate)
- Dichte
- 1.1061 · 1.1061 (rough estimate)
- Brechungsindex
- -36 ° · -36 ° (C=1, CHCl3)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Practically insoluble in water, soluble in ethanol (96 per cent).
- Aggregatzustand
- Powder
- Farbe
- White to yellow-white
- Wasserlöslichkeit
- practically insoluble
- Merck
- 14 · 14,8760
- Henry's Law Constant
- 9 · 9.0×104 mol/(m3Pa) at 25℃, HSDB (2015)
- BCS Class
- 2 · 2,4,3
- Major Application
- pharmaceutical (small molecule)
- InChIKey
- LXMSZDCAJNLERA-ZHYRCANASA-N
- SMILES
- CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29321900
- RTECS-Nr.
- TU4725000
- risk_code
- 60-40-36/37/38
- Toxizität
- LD50 in rats, mice, rabbits (mg/kg): 790, 360, 870 i.p. (IARC, 1980)
- hazard_code
- T,Xn,Xi
- safety_code
- 53-22-36/37/39-45-36-26
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Giftige Stoffe Daten
- 52-01-7(Hazardous Substances Data)
- Hazard Classifications
- Carc. 2Repr. 1BSTOT RE 2
Chemie und Industrie
Anwendungen
VerwendenSpironolactone, an aldosterone-, and competitive androgen-receptor-antagonist and 5-alpharductase- inhibitor, indicated for the treatment of androgen dependent hirsutism, ideally in doses of 50 to 200 mg per day accompanying the intake of oral contraceptives with the same seven day break in between. Side effects concerning the length of the menstrual cycle, the increase of blood pressure or potassium levels may occur. Spironolactone is the number one drug in the treatment of hirsutism in the US (Farquhar et al., 2003). In other countries the prescription of spironolactone for the treatment of hirsutism may be off-label.
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